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Information card for entry 1564917
Preview
Coordinates | 1564917.cif |
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Structure factors | 1564917.hkl |
Original IUCr paper | HTML |
Common name | 4-(3,5-Dichlorophenyl)-N,N-diphenylaniline |
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Chemical name | 3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine |
Formula | C24 H17 Cl2 N |
Calculated formula | C24 H17 Cl2 N |
SMILES | Clc1cc(Cl)cc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 |
Title of publication | 3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine |
Authors of publication | Patel, Dinesh G.; Cox, Jordan M.; Bender, Branden M.; Benedict, Jason B. |
Journal of publication | IUCrData |
Year of publication | 2021 |
Journal volume | 6 |
Journal issue | 10 |
Pages of publication | x211016 |
a | 14.5188 ± 0.0011 Å |
b | 7.7744 ± 0.0007 Å |
c | 18.07 ± 0.0016 Å |
α | 90° |
β | 110.447 ± 0.0018° |
γ | 90° |
Cell volume | 1911.1 ± 0.3 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0694 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1163 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
269945 (current) | 2021-10-14 | cif/ hkl/ Adding structures of 1564917 via cif-deposit CGI script. |
1564917.cif 1564917.hkl |
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Users of the data should acknowledge the original authors of the
structural data.